RefChem:311414
TL;DR: RefChem:311414 (CAS 82802-97-9) is a chemical compound with molecular formula C26H24BrClN2O3 and molecular weight 526.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-12,13-dimethoxy-6-(4-methoxyphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide
Also Known As: 7H-Isoquino(2,1-d)(1,4)benzodiazepin-8-ium, 9,10-dihydro-3-chloro-12,13-dimethoxy-6-(p-methoxyphenyl)-, bromide, 7H-ISOQUINO(2,1-d)(1,4)BENZODIAZEPIN-8-IUM, 9,10-DIHYDRO-3-CHLORO-12,13-DIMETHOX, (Z)-[(4Z)-4-(3-Chloro-12,13-dimethoxy-9,10-dihydroisoquinolino[2,1-d][1,4]benzodiazepin-6(7H)-ylidene)cyclohexa-2,5-dien-1-ylidene](methyl)oxidanium bromide, [4-(3-Chloro-12,13-dimethoxy-9,10-dihydroisoquinolino[2,1-d][1,4]benzodiazepin-6(7H)-ylidene)cyclohexa-2,5-dien-1-ylidene](methyl)oxidanium bromide, 3-chloro-12,13-dimethoxy-6-(4-methoxyphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide
| Molecular Formula | C26H24BrClN2O3 |
|---|---|
| Molecular Weight | 526.07 g/mol |
| LogP | 1.91 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 526.06586 |
| Heavy Atoms | 33 |
| Complexity | 733.0 |
Chemical Identifiers
| CAS Number | 82802-97-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C4=[N+](C2)CCC5=CC(=C(C=C54)OC)OC.[Br-] |
| InChIKey | GXGQHHKICYZUPE-UHFFFAOYSA-M |
Product Overview
RefChem:311414 (CAS 82802-97-9), with molecular formula C26H24BrClN2O3 and molecular weight 526.07 g/mol. IUPAC: 3-chloro-12,13-dimethoxy-6-(4-methoxyphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide.
Chemical Property Profile of RefChem:311414
Property Insights of RefChem:311414
The XLogP value of 1.91 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:311414. With a topological polar surface area (TPSA) of 43.1 Ų, RefChem:311414 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:311414 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:311414?
The CAS number of RefChem:311414 is 82802-97-9.
What is the molecular formula of RefChem:311414?
The molecular formula of RefChem:311414 is C26H24BrClN2O3.
What is the molecular weight of RefChem:311414?
The molecular weight of RefChem:311414 is 526.07 g/mol.
Where can I buy RefChem:311414?
You can request a quote for RefChem:311414 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:311414?
Yes, KEHONG BIO provides custom synthesis services for RefChem:311414 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.